Molecular Properties | |
SMILES: | CCNc1ccc(C#N)cc1Cc1ccc2c(c1)C(=O)NC2 |
MW: | 291.354 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 64.92 |
cLogP: | 2.82428 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-516d8086-16
0.653
MAK-UNK-516d8086-3
0.620
GAB-REV-df64cf17-19
0.620
MAK-UNK-516d8086-31
0.610
MAK-UNK-516d8086-8
0.588
MAK-UNK-516d8086-1
0.582
MAK-UNK-516d8086-22
0.561
MAK-UNK-516d8086-17
0.548
MAK-UNK-516d8086-6
0.543
MAK-UNK-516d8086-10
0.542
MAK-UNK-516d8086-11
0.536
MAK-UNK-516d8086-2
0.531
GAB-REV-df64cf17-20
0.506
MAK-UNK-516d8086-24
0.500
MAK-UNK-516d8086-23
0.494
MAK-UNK-516d8086-25
0.494
MAK-UNK-516d8086-18
0.438
MAK-UNK-516d8086-9
0.432
MAK-UNK-516d8086-7
0.425
KIM-UNI-7d12df64-2
0.393
ROB-UNI-b2e39629-1
0.380
ANT-DIA-b7f58f21-8
0.380
MAK-UNK-516d8086-26
0.371
MAK-UNK-516d8086-20
0.366
MAK-UNK-516d8086-13
0.366
DAR-DIA-fb20be43-3
0.356
MAK-UNK-516d8086-21
0.355
MAK-UNK-516d8086-5
0.355
MAK-UNK-516d8086-32
0.340
MAK-UNK-ec98eaf6-21
0.330
PET-SGC-0f1d26ed-2
0.322
MAK-UNK-516d8086-19
0.320
JAN-GHE-fd8d85a5-9
0.308
JAN-GHE-fd8d85a5-7
0.292
JAN-GHE-fd8d85a5-8
0.280
MAK-UNK-148caf23-5
0.261
GAB-REV-4a4e2ff3-4
0.259
GAB-REV-4a4e2ff3-10
0.252
TAM-UNI-d1c3dd9f-18
0.247
JON-UIO-066ce08b-10
0.247
JAN-GHE-fd8d85a5-1
0.247
THO-SYG-cc9e9a11-4
0.245
TRY-UNI-1fd04853-2
0.245
PET-SGC-0f1d26ed-1
0.242
PET-SGC-175e168c-1
0.240
TRY-UNI-1fd04853-1
0.240
ANT-DIA-b7f58f21-9
0.235
JAN-GHE-fd8d85a5-4
0.235
AAR-POS-d2a4d1df-5
0.234
GAB-REV-df64cf17-2
0.233
JOR-UNI-61e7b1d5-1
0.232
TRY-UNI-714a760b-24
0.232
THO-SYG-cc9e9a11-3
0.231
JAN-GHE-fd8d85a5-6
0.230
SAD-SAT-cefd50cc-10
0.230
GAB-REV-df64cf17-1
0.230
PET-SGC-9a4d8c0f-1
0.230
NIR-THE-0d6461ce-6
0.228
GAB-REV-df64cf17-13
0.228
MAK-UNK-148caf23-4
0.228
TRY-UNI-714a760b-20
0.227
BEN-DND-61647d40-8
0.226
DAR-DIA-23aa0b97-4
0.226
KIM-UNI-7d12df64-1
0.226
JAN-GHE-fd8d85a5-10
0.226
IND-SYN-2c708b29-4
0.225
MAR-TRE-8190bb11-86
0.224
JAN-GHE-fd8d85a5-5
0.224
PAU-UNI-52c0427f-1
0.224
BRU-LEF-ae0885ba-1
0.224
DAR-DIA-fb20be43-4
0.224
GAB-REV-df64cf17-18
0.223
GAB-REV-df64cf17-3
0.223
THO-SYG-cc9e9a11-8
0.222
TAM-UNI-d1c3dd9f-17
0.222
GAB-REV-df64cf17-9
0.222
MAK-UNK-10dfa458-44
0.221
PET-SGC-276eba5a-1
0.221
DAR-DIA-23aa0b97-18
0.221
GAB-REV-df64cf17-12
0.221
TRY-UNI-9f475305-10
0.220
AAR-UNI-c25c2f1e-56
0.220
MAK-UNK-148caf23-21
0.220
MIC-UNK-2744a8e2-2
0.219
ALP-POS-fe871b40-4
0.218
MAK-UNK-748f8b7a-6
0.218
GAB-REV-df64cf17-7
0.218
SAD-SAT-24589cd1-3
0.218
SCO-VAN-260d9628-5
0.217
JOR-UNI-61e7b1d5-13
0.217
SAD-SAT-24589cd1-5
0.216
TRY-UNI-2eddb1ff-6
0.216
RAL-THA-901e9a10-3
0.216
MAK-UNK-30aad1f1-3
0.216
NIR-THE-0d6461ce-7
0.216
GAB-REV-df64cf17-15
0.216
JOR-UNI-61e7b1d5-15
0.216
JOR-UNI-61e7b1d5-19
0.216
JOR-UNI-61e7b1d5-4
0.216
TRY-UNI-9f475305-1
0.214